Benzenebutanoic acid,5-diiodo-
TL;DR: Benzenebutanoic acid,5-diiodo- (CAS 33670-41-6) is a chemical compound with molecular formula C14H17Cl2I2NO2 and molecular weight 554.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[bis(2-chloroethyl)amino]-3,5-diiodophenyl]butanoic acid
Also Known As: Benzenebutanoic acid,5-diiodo-, 4-[4-[bis(2-chloroethyl)amino]-3,5-diiodophenyl]butanoic acid, 4-{4-[Bis(2-chloroethyl)amino]-3,5-diiodophenyl}butanoic acid
| Molecular Formula | C14H17Cl2I2NO2 |
|---|---|
| Molecular Weight | 554.87 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 554.87256 |
| Heavy Atoms | 21 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 33670-41-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)N(CCCl)CCCl)I)CCCC(=O)O |
| InChIKey | WSUKBCICRNSKOE-UHFFFAOYSA-N |
Product Overview
Benzenebutanoic acid,5-diiodo- (CAS 33670-41-6), with molecular formula C14H17Cl2I2NO2 and molecular weight 554.87 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]-3,5-diiodophenyl]butanoic acid.
Chemical Property Profile of Benzenebutanoic acid,5-diiodo-
Property Insights of Benzenebutanoic acid,5-diiodo-
The XLogP value of 4.6 indicates that Benzenebutanoic acid,5-diiodo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzenebutanoic acid,5-diiodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenebutanoic acid,5-diiodo- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenebutanoic acid,5-diiodo-?
The CAS number of Benzenebutanoic acid,5-diiodo- is 33670-41-6.
What is the molecular formula of Benzenebutanoic acid,5-diiodo-?
The molecular formula of Benzenebutanoic acid,5-diiodo- is C14H17Cl2I2NO2.
What is the molecular weight of Benzenebutanoic acid,5-diiodo-?
The molecular weight of Benzenebutanoic acid,5-diiodo- is 554.87 g/mol.
Where can I buy Benzenebutanoic acid,5-diiodo-?
You can request a quote for Benzenebutanoic acid,5-diiodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid,5-diiodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid,5-diiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.